CID 25010753

7-methylthioheptanaldoxime

Structural Information

Molecular Formula
C8H17NOS
SMILES
CSCCCCCC/C=N/O
InChI
InChI=1S/C8H17NOS/c1-11-8-6-4-2-3-5-7-9-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKey
LLTRNSKZFVUNLQ-VQHVLOKHSA-N
Compound name
(NE)-N-(7-methylsulfanylheptylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

175.10309 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11037 139.4
[M+Na]+ 198.09231 145.2
[M-H]- 174.09581 139.3
[M+NH4]+ 193.13691 160.0
[M+K]+ 214.06625 143.0
[M+H-H2O]+ 158.10035 133.7
[M+HCOO]- 220.10129 158.4
[M+CH3COO]- 234.11694 182.3
[M+Na-2H]- 196.07776 142.1
[M]+ 175.10254 143.2
[M]- 175.10364 143.2
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