CID 213536

Isopropylamphetamine hydrochloride

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)NC(C)CC1=CC=CC=C1
InChI
InChI=1S/C12H19N/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKey
PJXXJRMRHFYMEY-UHFFFAOYSA-N
Compound name
1-phenyl-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

177.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.9
[M+Na]+ 200.14097 147.6
[M-H]- 176.14447 146.0
[M+NH4]+ 195.18557 162.6
[M+K]+ 216.11491 145.9
[M+H-H2O]+ 160.14901 136.6
[M+HCOO]- 222.14995 165.5
[M+CH3COO]- 236.16560 187.0
[M+Na-2H]- 198.12642 147.3
[M]+ 177.15120 141.8
[M]- 177.15230 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe