CID 7901

107-99-3

Structural Information

Molecular Formula
C4H10ClN
SMILES
CN(C)CCCl
InChI
InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
InChIKey
WQMAANNAZKNUDL-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

14685
Patents

107.05018 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.057456 119.5
[M+Na]+ 130.039398 127.6
[M-H]- 106.042904 121.4
[M+NH4]+ 125.084003 143.9
[M+K]+ 146.013338 127.1
[M+H-H2O]+ 90.047440 115.9
[M+HCOO]- 152.048381 140.9
[M+CH3COO]- 166.064031 173.5
[M+Na-2H]- 128.024846 126.7
[M]+ 107.04963142 122.2
[M]- 107.05072858 122.2
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