CID 4961779

2-chloro-n-(propan-2-yl)propanamide

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CC(C)NC(=O)C(C)Cl
InChI
InChI=1S/C6H12ClNO/c1-4(2)8-6(9)5(3)7/h4-5H,1-3H3,(H,8,9)
InChIKey
NVIZBBOTWUFFLR-UHFFFAOYSA-N
Compound name
2-chloro-N-propan-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

149.06075 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.068026 131.4
[M+Na]+ 172.049968 138.2
[M-H]- 148.053474 131.8
[M+NH4]+ 167.094573 153.3
[M+K]+ 188.023908 136.9
[M+H-H2O]+ 132.058010 127.8
[M+HCOO]- 194.058951 149.2
[M+CH3COO]- 208.074601 178.8
[M+Na-2H]- 170.035416 134.4
[M]+ 149.06020142 132.4
[M]- 149.06129858 132.4
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