CID 3057467

1-(o-chloro-alpha-methylbenzyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H16ClN
SMILES
CC(C1=CC=CC=C1Cl)N2CCCC2
InChI
InChI=1S/C12H16ClN/c1-10(14-8-4-5-9-14)11-6-2-3-7-12(11)13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKey
RPVUBMKNGJFFKX-UHFFFAOYSA-N
Compound name
1-[1-(2-chlorophenyl)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09712 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 147.7
[M+Na]+ 232.08634 154.5
[M-H]- 208.08984 152.3
[M+NH4]+ 227.13094 167.6
[M+K]+ 248.06028 150.1
[M+H-H2O]+ 192.09438 140.8
[M+HCOO]- 254.09532 163.6
[M+CH3COO]- 268.11097 185.1
[M+Na-2H]- 230.07179 149.7
[M]+ 209.09657 146.2
[M]- 209.09767 146.2
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

patents stripe