CID 46839604

[1-(2,4-dimethylphenyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC(=C(C=C1)C2(CC2)CN)C
InChI
InChI=1S/C12H17N/c1-9-3-4-11(10(2)7-9)12(8-13)5-6-12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKey
AGVVOOVYNQERPI-UHFFFAOYSA-N
Compound name
[1-(2,4-dimethylphenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

175.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 136.2
[M+Na]+ 198.125318 146.0
[M-H]- 174.128824 143.9
[M+NH4]+ 193.169923 153.6
[M+K]+ 214.099258 143.2
[M+H-H2O]+ 158.133360 130.8
[M+HCOO]- 220.134301 160.4
[M+CH3COO]- 234.149951 188.0
[M+Na-2H]- 196.110766 142.6
[M]+ 175.13555142 137.9
[M]- 175.13664858 137.9
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