CID 55291220

4-chloro-3-methylbutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H12ClN
SMILES
CC(CCN)CCl
InChI
InChI=1S/C5H12ClN/c1-5(4-6)2-3-7/h5H,2-4,7H2,1H3
InChIKey
SQQGGSMHBZQQOM-UHFFFAOYSA-N
Compound name
4-chloro-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.06583 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.073106 125.4
[M+Na]+ 144.055048 132.7
[M-H]- 120.058554 125.1
[M+NH4]+ 139.099653 148.2
[M+K]+ 160.028988 130.6
[M+H-H2O]+ 104.063090 121.9
[M+HCOO]- 166.064031 144.3
[M+CH3COO]- 180.079681 173.0
[M+Na-2H]- 142.040496 130.4
[M]+ 121.06528142 125.5
[M]- 121.06637858 125.5
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

No patent data available for this compound.