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

112
Patents

121.06583 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.073106 124.5
[M+Na]+ 144.055048 131.9
[M-H]- 120.058554 124.6
[M+NH4]+ 139.099653 147.6
[M+K]+ 160.028988 129.8
[M+H-H2O]+ 104.063090 120.9
[M+HCOO]- 166.064031 145.0
[M+CH3COO]- 180.079681 172.9
[M+Na-2H]- 142.040496 131.8
[M]+ 121.06528142 126.2
[M]- 121.06637858 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