CID 82074887

2-cyclopropyl-3-phenylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
C1CC1C(CC2=CC=CC=C2)CN
InChI
InChI=1S/C12H17N/c13-9-12(11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKey
VHPKDXJFGDKQKV-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 135.8
[M+Na]+ 198.125318 142.8
[M-H]- 174.128824 142.5
[M+NH4]+ 193.169923 150.6
[M+K]+ 214.099258 139.6
[M+H-H2O]+ 158.133360 129.0
[M+HCOO]- 220.134301 159.6
[M+CH3COO]- 234.149951 187.1
[M+Na-2H]- 196.110766 141.5
[M]+ 175.13555142 135.7
[M]- 175.13664858 135.7
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