CID 14099015

Tert-butyl n-[1-(pyrrolidin-3-yl)ethyl]carbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C1CCNC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-8(9-5-6-12-7-9)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKey
HJUZGKGDCUOVML-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

214.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 154.0
[M+Na]+ 237.15734 157.4
[M-H]- 213.16084 154.1
[M+NH4]+ 232.20194 172.0
[M+K]+ 253.13128 156.6
[M+H-H2O]+ 197.16538 147.9
[M+HCOO]- 259.16632 171.0
[M+CH3COO]- 273.18197 186.2
[M+Na-2H]- 235.14279 155.1
[M]+ 214.16757 150.5
[M]- 214.16867 150.5
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