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]+ 192.11498 143.9
[M+Na]+ 214.09692 149.7
[M-H]- 190.10042 145.6
[M+NH4]+ 209.14152 164.8
[M+K]+ 230.07086 149.4
[M+H-H2O]+ 174.10496 139.9
[M+HCOO]- 236.10590 160.5
[M+CH3COO]- 250.12155 192.4
[M+Na-2H]- 212.08237 143.6
[M]+ 191.10715 146.9
[M]- 191.10825 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