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]+ 199.144106 148.8
[M+Na]+ 221.126048 155.6
[M-H]- 197.129554 149.4
[M+NH4]+ 216.170653 166.1
[M+K]+ 237.099988 156.1
[M+H-H2O]+ 181.134090 137.2
[M+HCOO]- 243.135031 166.3
[M+CH3COO]- 257.150681 199.9
[M+Na-2H]- 219.111496 151.9
[M]+ 198.13628142 145.6
[M]- 198.13737858 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.