CID 28428

17256-39-2

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

256
Patents

121.06583 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07311 124.4
[M+Na]+ 144.05505 131.9
[M-H]- 120.05855 126.2
[M+NH4]+ 139.09965 148.2
[M+K]+ 160.02899 131.5
[M+H-H2O]+ 104.06309 120.7
[M+HCOO]- 166.06403 144.5
[M+CH3COO]- 180.07968 177.4
[M+Na-2H]- 142.04050 129.8
[M]+ 121.06528 126.9
[M]- 121.06638 126.9
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