CID 53404744

Tert-butyl n-ethyl-n-(pyrrolidin-3-yl)carbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CCN(C1CCNC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-5-13(9-6-7-12-8-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKey
YSSKLKKEUPUEEM-UHFFFAOYSA-N
Compound name
tert-butyl N-ethyl-N-pyrrolidin-3-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

214.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 153.5
[M+Na]+ 237.157338 157.3
[M-H]- 213.160844 154.9
[M+NH4]+ 232.201943 172.2
[M+K]+ 253.131278 157.3
[M+H-H2O]+ 197.165380 147.1
[M+HCOO]- 259.166321 172.0
[M+CH3COO]- 273.181971 188.8
[M+Na-2H]- 235.142786 155.1
[M]+ 214.16757142 151.8
[M]- 214.16866858 151.8
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