CID 407726

1-chloro-2-methylpropan-2-amine hydrochloride

Structural Information

Molecular Formula
C4H10ClN
SMILES
CC(C)(CCl)N
InChI
InChI=1S/C4H10ClN/c1-4(2,6)3-5/h3,6H2,1-2H3
InChIKey
VLIVAHJJXAHKFO-UHFFFAOYSA-N
Compound name
1-chloro-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

107.05018 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.057456 120.5
[M+Na]+ 130.039398 128.9
[M-H]- 106.042904 120.7
[M+NH4]+ 125.084003 144.0
[M+K]+ 146.013338 126.9
[M+H-H2O]+ 90.047440 117.7
[M+HCOO]- 152.048381 139.2
[M+CH3COO]- 166.064031 169.4
[M+Na-2H]- 128.024846 127.8
[M]+ 107.04963142 120.3
[M]- 107.05072858 120.3
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