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

100
Patents

182.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.6
[M+Na]+ 205.09475 149.5
[M+NH4]+ 200.13935 147.4
[M+K]+ 221.06869 147.4
[M-H]- 181.09825 140.3
[M+Na-2H]- 203.08020 145.2
[M]+ 182.10498 141.5
[M]- 182.10608 141.5
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