CID 12698241

5-chloropentan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H12ClN
SMILES
C(CCN)CCCl
InChI
InChI=1S/C5H12ClN/c6-4-2-1-3-5-7/h1-5,7H2
InChIKey
ZKSVFILTLOPGJC-UHFFFAOYSA-N
Compound name
5-chloropentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

121.06583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07311 124.9
[M+Na]+ 144.05505 132.4
[M-H]- 120.05855 124.5
[M+NH4]+ 139.09965 147.7
[M+K]+ 160.02899 129.8
[M+H-H2O]+ 104.06309 121.3
[M+HCOO]- 166.06403 144.8
[M+CH3COO]- 180.07968 172.2
[M+Na-2H]- 142.04050 131.1
[M]+ 121.06528 125.6
[M]- 121.06638 125.6
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