CID 132327861

2126160-00-5

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)OC(=O)NC1CCN(C1)CC#C
InChI
InChI=1S/C12H20N2O2/c1-5-7-14-8-6-10(9-14)13-11(15)16-12(2,3)4/h1,10H,6-9H2,2-4H3,(H,13,15)
InChIKey
GCSGXKDBGOAZAG-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-prop-2-ynylpyrrolidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 155.1
[M+Na]+ 247.14170 162.2
[M-H]- 223.14520 155.3
[M+NH4]+ 242.18630 171.4
[M+K]+ 263.11564 159.8
[M+H-H2O]+ 207.14974 142.5
[M+HCOO]- 269.15068 168.9
[M+CH3COO]- 283.16633 197.6
[M+Na-2H]- 245.12715 156.0
[M]+ 224.15193 148.7
[M]- 224.15303 148.7
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

No patent data available for this compound.