CID 16740508

912770-99-1

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)NC1(CCCC1)C#N
InChI
InChI=1S/C11H18N2O2/c1-10(2,3)15-9(14)13-11(8-12)6-4-5-7-11/h4-7H2,1-3H3,(H,13,14)
InChIKey
LRMWZGZPJOFYIM-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyanocyclopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

210.13683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 152.6
[M+Na]+ 233.126048 160.2
[M-H]- 209.129554 155.6
[M+NH4]+ 228.170653 172.6
[M+K]+ 249.099988 157.9
[M+H-H2O]+ 193.134090 141.3
[M+HCOO]- 255.135031 170.1
[M+CH3COO]- 269.150681 197.9
[M+Na-2H]- 231.111496 156.4
[M]+ 210.13628142 146.5
[M]- 210.13737858 146.5
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