CID 39236581

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

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2N
InChI
InChI=1S/C12H17N/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13/h3-6,8,11-12H,7,13H2,1-2H3/t11-,12+/m0/s1
InChIKey
NPJVJYLURDCJGT-NWDGAFQWSA-N
Compound name
(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 135.3
[M+Na]+ 198.12532 144.2
[M-H]- 174.12882 142.8
[M+NH4]+ 193.16992 150.8
[M+K]+ 214.09926 140.8
[M+H-H2O]+ 158.13336 129.0
[M+HCOO]- 220.13430 159.0
[M+CH3COO]- 234.14995 189.2
[M+Na-2H]- 196.11077 139.7
[M]+ 175.13555 136.0
[M]- 175.13665 136.0
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

patents stripe