CID 21401

5327-28-6

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC(C)OC(=O)NCC1=CC=CO1
InChI
InChI=1S/C9H13NO3/c1-7(2)13-9(11)10-6-8-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKey
JZCBXDSLFBPBAH-UHFFFAOYSA-N
Compound name
propan-2-yl N-(furan-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 140.8
[M+Na]+ 206.07876 147.0
[M-H]- 182.08226 145.0
[M+NH4]+ 201.12336 160.6
[M+K]+ 222.05270 147.9
[M+H-H2O]+ 166.08680 134.8
[M+HCOO]- 228.08774 165.0
[M+CH3COO]- 242.10339 181.7
[M+Na-2H]- 204.06421 145.4
[M]+ 183.08899 143.3
[M]- 183.09009 143.3
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

patents stripe