CID 24275303

[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methanamine

Structural Information

Molecular Formula
C12H17ClN2
SMILES
CC1=C(C=C(C=C1)Cl)N2CCC(C2)CN
InChI
InChI=1S/C12H17ClN2/c1-9-2-3-11(13)6-12(9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKey
VVHVVRVZRPSGIS-UHFFFAOYSA-N
Compound name
[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10803 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11531 152.1
[M+Na]+ 247.09725 160.2
[M-H]- 223.10075 156.7
[M+NH4]+ 242.14185 171.4
[M+K]+ 263.07119 154.8
[M+H-H2O]+ 207.10529 145.3
[M+HCOO]- 269.10623 169.4
[M+CH3COO]- 283.12188 190.6
[M+Na-2H]- 245.08270 153.2
[M]+ 224.10748 150.2
[M]- 224.10858 150.2
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

No patent data available for this compound.