CID 3042642

1-benzyl-2-(chloromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H16ClN
SMILES
C1CC(N(C1)CC2=CC=CC=C2)CCl
InChI
InChI=1S/C12H16ClN/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey
QDLRSEZDDYKFTJ-UHFFFAOYSA-N
Compound name
1-benzyl-2-(chloromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

209.09712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 147.6
[M+Na]+ 232.08634 154.7
[M-H]- 208.08984 152.0
[M+NH4]+ 227.13094 167.5
[M+K]+ 248.06028 149.9
[M+H-H2O]+ 192.09438 140.5
[M+HCOO]- 254.09532 164.5
[M+CH3COO]- 268.11097 184.3
[M+Na-2H]- 230.07179 150.7
[M]+ 209.09657 146.6
[M]- 209.09767 146.6
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