CID 5220401

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

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CC(C)NC(=O)CCCl
InChI
InChI=1S/C6H12ClNO/c1-5(2)8-6(9)3-4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
ALFWYWDQZOWABE-UHFFFAOYSA-N
Compound name
3-chloro-N-propan-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

149.06075 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06803 131.5
[M+Na]+ 172.04997 138.5
[M-H]- 148.05347 131.8
[M+NH4]+ 167.09457 153.4
[M+K]+ 188.02391 136.8
[M+H-H2O]+ 132.05801 127.8
[M+HCOO]- 194.05895 150.2
[M+CH3COO]- 208.07460 177.9
[M+Na-2H]- 170.03542 135.7
[M]+ 149.06020 133.1
[M]- 149.06130 133.1
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