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]+ 245.09545 152.1
[M+Na]+ 267.07739 157.1
[M-H]- 243.08089 153.9
[M+NH4]+ 262.12199 168.2
[M+K]+ 283.05133 153.9
[M+H-H2O]+ 227.08543 145.4
[M+HCOO]- 289.08637 169.8
[M+CH3COO]- 303.10202 191.2
[M+Na-2H]- 265.06284 156.7
[M]+ 244.08762 152.6
[M]- 244.08872 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.