CID 86812456

Rac-(1r,2r)-2-methyl-1-[4-(propan-2-yl)phenyl]cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
C[C@@H]1C[C@@]1(C2=CC=C(C=C2)C(C)C)N
InChI
InChI=1S/C13H19N/c1-9(2)11-4-6-12(7-5-11)13(14)8-10(13)3/h4-7,9-10H,8,14H2,1-3H3/t10-,13-/m1/s1
InChIKey
VGAACFQATNQDRZ-ZWNOBZJWSA-N
Compound name
(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 139.9
[M+Na]+ 212.14097 149.1
[M-H]- 188.14447 147.6
[M+NH4]+ 207.18557 156.7
[M+K]+ 228.11491 146.4
[M+H-H2O]+ 172.14901 134.6
[M+HCOO]- 234.14995 162.9
[M+CH3COO]- 248.16560 191.7
[M+Na-2H]- 210.12642 144.7
[M]+ 189.15120 141.4
[M]- 189.15230 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.