CID 3045065

N-(2-chloroethyl)propylamine hydrochloride

Structural Information

Molecular Formula
C5H12ClN
SMILES
CCCNCCCl
InChI
InChI=1S/C5H12ClN/c1-2-4-7-5-3-6/h7H,2-5H2,1H3
InChIKey
CFZUIIKEGAIPQS-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

121.06583 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07311 124.5
[M+Na]+ 144.05505 131.9
[M-H]- 120.05855 124.6
[M+NH4]+ 139.09965 147.6
[M+K]+ 160.02899 129.8
[M+H-H2O]+ 104.06309 120.9
[M+HCOO]- 166.06403 145.0
[M+CH3COO]- 180.07968 172.9
[M+Na-2H]- 142.04050 131.8
[M]+ 121.06528 126.2
[M]- 121.06638 126.2
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