CID 638383

130013-83-1

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C[C@@H](C#N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H14N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,1-4H3,(H,10,11)/t6-/m0/s1
InChIKey
RPKPFOKNXKRFTD-LURJTMIESA-N
Compound name
tert-butyl N-[(1S)-1-cyanoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

170.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 140.8
[M+Na]+ 193.09475 148.3
[M-H]- 169.09825 141.7
[M+NH4]+ 188.13935 159.1
[M+K]+ 209.06869 149.3
[M+H-H2O]+ 153.10279 129.5
[M+HCOO]- 215.10373 158.8
[M+CH3COO]- 229.11938 194.5
[M+Na-2H]- 191.08020 144.8
[M]+ 170.10498 136.9
[M]- 170.10608 136.9
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