CID 6518735

Brn 2039406

Structural Information

Molecular Formula
C7H15NOS
SMILES
CC(C)(C)/C(=N\O)/CSC
InChI
InChI=1S/C7H15NOS/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3/b8-6-
InChIKey
WMNXDZQBHMQKLX-VURMDHGXSA-N
Compound name
(NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

161.08743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 138.4
[M+Na]+ 184.07665 146.8
[M+NH4]+ 179.12125 146.3
[M+K]+ 200.05059 140.4
[M-H]- 160.08015 137.8
[M+Na-2H]- 182.06210 140.9
[M]+ 161.08688 139.7
[M]- 161.08798 139.7
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