CID 82459

10218-88-9

Structural Information

Molecular Formula
C4H10ClN
SMILES
CC(C)(C)NCl
InChI
InChI=1S/C4H10ClN/c1-4(2,3)6-5/h6H,1-3H3
InChIKey
XFFUBBGUJSBONN-UHFFFAOYSA-N
Compound name
N-chloro-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

107.05018 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.057456 120.2
[M+Na]+ 130.039398 128.7
[M-H]- 106.042904 121.0
[M+NH4]+ 125.084003 144.1
[M+K]+ 146.013338 127.1
[M+H-H2O]+ 90.047440 117.5
[M+HCOO]- 152.048381 139.5
[M+CH3COO]- 166.064031 169.5
[M+Na-2H]- 128.024846 128.6
[M]+ 107.04963142 121.0
[M]- 107.05072858 121.0
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