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

2
Patents

161.08743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 136.4
[M+Na]+ 184.076648 142.9
[M-H]- 160.080154 137.0
[M+NH4]+ 179.121253 157.8
[M+K]+ 200.050588 141.9
[M+H-H2O]+ 144.084690 131.6
[M+HCOO]- 206.085631 153.2
[M+CH3COO]- 220.101281 179.7
[M+Na-2H]- 182.062096 139.2
[M]+ 161.08688142 138.7
[M]- 161.08797858 138.7
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