CID 45091898

153371-26-7

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC[C@@H](CC#N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H18N2O2/c1-5-8(6-7-11)12-9(13)14-10(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKey
ZOYXDRDJRPCCTD-QMMMGPOBSA-N
Compound name
tert-butyl N-[(2S)-1-cyanobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 148.8
[M+Na]+ 221.12605 155.6
[M-H]- 197.12955 149.4
[M+NH4]+ 216.17065 166.1
[M+K]+ 237.09999 156.1
[M+H-H2O]+ 181.13409 137.2
[M+HCOO]- 243.13503 166.3
[M+CH3COO]- 257.15068 199.9
[M+Na-2H]- 219.11150 151.9
[M]+ 198.13628 145.6
[M]- 198.13738 145.6
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.