CID 138695523

2357109-30-7

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)NCCCCCOCC#C
InChI
InChI=1S/C13H23NO3/c1-5-10-16-11-8-6-7-9-14-12(15)17-13(2,3)4/h1H,6-11H2,2-4H3,(H,14,15)
InChIKey
BGOKDCLRVURICD-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-prop-2-ynoxypentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 158.4
[M+Na]+ 264.15702 164.9
[M-H]- 240.16052 157.4
[M+NH4]+ 259.20162 174.0
[M+K]+ 280.13096 163.8
[M+H-H2O]+ 224.16506 146.9
[M+HCOO]- 286.16600 174.1
[M+CH3COO]- 300.18165 202.2
[M+Na-2H]- 262.14247 161.0
[M]+ 241.16725 157.4
[M]- 241.16835 157.4
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