CID 48362

N-(2-chloroethyl)-n-propylbenzylamine hydrochloride

Structural Information

Molecular Formula
C12H18ClN
SMILES
CCCN(CCCl)CC1=CC=CC=C1
InChI
InChI=1S/C12H18ClN/c1-2-9-14(10-8-13)11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey
JVIOPFXZEKYZCZ-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

211.11278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12006 148.8
[M+Na]+ 234.10200 155.0
[M-H]- 210.10550 152.9
[M+NH4]+ 229.14660 168.7
[M+K]+ 250.07594 151.5
[M+H-H2O]+ 194.11004 142.7
[M+HCOO]- 256.11098 169.2
[M+CH3COO]- 270.12663 192.6
[M+Na-2H]- 232.08745 154.3
[M]+ 211.11223 152.3
[M]- 211.11333 152.3
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