CID 9581335

Octanal, 3,7-dimethyl-, oxime

Structural Information

Molecular Formula
C10H21NO
SMILES
CC(C)CCCC(C)C/C=N/O
InChI
InChI=1S/C10H21NO/c1-9(2)5-4-6-10(3)7-8-11-12/h8-10,12H,4-7H2,1-3H3/b11-8+
InChIKey
NFWQKRXFFKMVKP-DHZHZOJOSA-N
Compound name
(NE)-N-(3,7-dimethyloctylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.16231 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.16959 144.4
[M+Na]+ 194.15153 149.0
[M-H]- 170.15503 144.1
[M+NH4]+ 189.19613 164.6
[M+K]+ 210.12547 148.5
[M+H-H2O]+ 154.15957 139.0
[M+HCOO]- 216.16051 166.3
[M+CH3COO]- 230.17616 186.2
[M+Na-2H]- 192.13698 146.9
[M]+ 171.16176 145.7
[M]- 171.16286 145.7
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