CID 55268960

Cyclopropanamine, 1-[3-(1,1-dimethylethyl)phenyl]-

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)(C)C1=CC=CC(=C1)C2(CC2)N
InChI
InChI=1S/C13H19N/c1-12(2,3)10-5-4-6-11(9-10)13(14)7-8-13/h4-6,9H,7-8,14H2,1-3H3
InChIKey
CEPJQAFVPMIAJG-UHFFFAOYSA-N
Compound name
1-(3-tert-butylphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 140.8
[M+Na]+ 212.14097 149.8
[M-H]- 188.14447 148.4
[M+NH4]+ 207.18557 157.6
[M+K]+ 228.11491 147.3
[M+H-H2O]+ 172.14901 135.8
[M+HCOO]- 234.14995 163.3
[M+CH3COO]- 248.16560 189.5
[M+Na-2H]- 210.12642 148.0
[M]+ 189.15120 142.0
[M]- 189.15230 142.0
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