CID 5048472

2,2,4,4-tetramethyl-3-pentanone oxime

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)C(=NO)C(C)(C)C
InChI
InChI=1S/C9H19NO/c1-8(2,3)7(10-11)9(4,5)6/h11H,1-6H3
InChIKey
BJXJCAMLWINIQS-UHFFFAOYSA-N
Compound name
N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

157.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.5
[M+Na]+ 180.13589 143.9
[M-H]- 156.13939 138.2
[M+NH4]+ 175.18049 158.8
[M+K]+ 196.10983 144.1
[M+H-H2O]+ 140.14393 133.8
[M+HCOO]- 202.14487 157.8
[M+CH3COO]- 216.16052 181.6
[M+Na-2H]- 178.12134 143.5
[M]+ 157.14612 138.0
[M]- 157.14722 138.0
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