CID 13345096

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

Structural Information

Molecular Formula
C9H18ClNO
SMILES
CC(C)N(C(C)C)C(=O)C(C)Cl
InChI
InChI=1S/C9H18ClNO/c1-6(2)11(7(3)4)9(12)8(5)10/h6-8H,1-5H3
InChIKey
VMGBVCZLORGNTJ-UHFFFAOYSA-N
Compound name
2-chloro-N,N-di(propan-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.1077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.114976 143.9
[M+Na]+ 214.096918 149.7
[M-H]- 190.100424 145.6
[M+NH4]+ 209.141523 164.8
[M+K]+ 230.070858 149.4
[M+H-H2O]+ 174.104960 139.9
[M+HCOO]- 236.105901 160.5
[M+CH3COO]- 250.121551 192.4
[M+Na-2H]- 212.082366 143.6
[M]+ 191.10715142 146.9
[M]- 191.10824858 146.9
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