CID 22067

Benzylamine, n-(3-chloropropyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C11H16ClN
SMILES
CN(CCCCl)CC1=CC=CC=C1
InChI
InChI=1S/C11H16ClN/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKey
XOVAMNMHLZQZJL-UHFFFAOYSA-N
Compound name
N-benzyl-3-chloro-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

355
Patents

197.09712 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10440 144.0
[M+Na]+ 220.08634 150.7
[M-H]- 196.08984 148.3
[M+NH4]+ 215.13094 164.6
[M+K]+ 236.06028 147.5
[M+H-H2O]+ 180.09438 138.2
[M+HCOO]- 242.09532 164.9
[M+CH3COO]- 256.11097 189.6
[M+Na-2H]- 218.07179 150.2
[M]+ 197.09657 147.2
[M]- 197.09767 147.2
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