CID 12698240

4-chlorobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H10ClN
SMILES
C(CCCl)CN
InChI
InChI=1S/C4H10ClN/c5-3-1-2-4-6/h1-4,6H2
InChIKey
OEOOQMSPHMFXJL-UHFFFAOYSA-N
Compound name
4-chlorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

459
Patents

107.05018 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.057456 120.2
[M+Na]+ 130.039398 128.1
[M-H]- 106.042904 120.0
[M+NH4]+ 125.084003 143.6
[M+K]+ 146.013338 125.9
[M+H-H2O]+ 90.047440 116.9
[M+HCOO]- 152.048381 140.4
[M+CH3COO]- 166.064031 169.2
[M+Na-2H]- 128.024846 127.1
[M]+ 107.04963142 120.6
[M]- 107.05072858 120.6
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