CID 198977

Usaf la-16

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
CC(CC1=CC=CC=C1)NNCS(=O)(=O)O
InChI
InChI=1S/C10H16N2O3S/c1-9(12-11-8-16(13,14)15)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,13,14,15)
InChIKey
STLDQUNGUABJPD-UHFFFAOYSA-N
Compound name
[2-(1-phenylpropan-2-yl)hydrazinyl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08817 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.095446 152.1
[M+Na]+ 267.077388 157.1
[M-H]- 243.080894 153.9
[M+NH4]+ 262.121993 168.2
[M+K]+ 283.051328 153.9
[M+H-H2O]+ 227.085430 145.4
[M+HCOO]- 289.086371 169.8
[M+CH3COO]- 303.102021 191.2
[M+Na-2H]- 265.062836 156.7
[M]+ 244.08762142 152.6
[M]- 244.08871858 152.6
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

No patent data available for this compound.