CID 15129218

Tert-butyl n-[(3-methylpyrrolidin-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC1(CCNC1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-11(4)5-6-12-7-11/h12H,5-8H2,1-4H3,(H,13,14)
InChIKey
AXCFIJFQUMHJRG-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-methylpyrrolidin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

214.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 152.6
[M+Na]+ 237.157338 157.2
[M-H]- 213.160844 152.8
[M+NH4]+ 232.201943 172.7
[M+K]+ 253.131278 156.0
[M+H-H2O]+ 197.165380 147.5
[M+HCOO]- 259.166321 170.6
[M+CH3COO]- 273.181971 184.9
[M+Na-2H]- 235.142786 156.3
[M]+ 214.16757142 150.0
[M]- 214.16866858 150.0
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