CID 19773517

96989-37-6

Structural Information

Molecular Formula
C4H10ClN
SMILES
CC(CN)CCl
InChI
InChI=1S/C4H10ClN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3
InChIKey
IHYMTVGUOZKLFK-UHFFFAOYSA-N
Compound name
3-chloro-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

107.05018 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05746 120.7
[M+Na]+ 130.03940 128.4
[M-H]- 106.04290 120.6
[M+NH4]+ 125.08400 144.1
[M+K]+ 146.01334 126.6
[M+H-H2O]+ 90.047440 117.4
[M+HCOO]- 152.04838 140.0
[M+CH3COO]- 166.06403 170.0
[M+Na-2H]- 128.02485 126.3
[M]+ 107.04963 120.4
[M]- 107.05073 120.4
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