CID 36984

34893-24-8

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCCC(C)C1=CC(=CC=C1)OC(=O)NCO
InChI
InChI=1S/C13H19NO3/c1-3-5-10(2)11-6-4-7-12(8-11)17-13(16)14-9-15/h4,6-8,10,15H,3,5,9H2,1-2H3,(H,14,16)
InChIKey
IQEQQAJTJCCGFX-UHFFFAOYSA-N
Compound name
(3-pentan-2-ylphenyl) N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 156.0
[M+Na]+ 260.125708 161.1
[M-H]- 236.129214 157.9
[M+NH4]+ 255.170313 172.8
[M+K]+ 276.099648 159.3
[M+H-H2O]+ 220.133750 149.4
[M+HCOO]- 282.134691 177.7
[M+CH3COO]- 296.150341 192.5
[M+Na-2H]- 258.111156 158.6
[M]+ 237.13594142 157.3
[M]- 237.13703858 157.3
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.