CID 49760548

937046-95-2

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(C)OC(=O)NN1C=CC=C1
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)10-11-6-4-5-7-11/h4-7H,1-3H3,(H,10,12)
InChIKey
JDOTVVAIWOCYFL-UHFFFAOYSA-N
Compound name
tert-butyl N-pyrrol-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

182.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 140.8
[M+Na]+ 205.094748 147.8
[M-H]- 181.098254 143.3
[M+NH4]+ 200.139353 161.1
[M+K]+ 221.068688 147.4
[M+H-H2O]+ 165.102790 134.6
[M+HCOO]- 227.103731 164.0
[M+CH3COO]- 241.119381 181.1
[M+Na-2H]- 203.080196 146.6
[M]+ 182.10498142 142.0
[M]- 182.10607858 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe