CID 19364757

2-(boc-amino)-5-hexynoic acid

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)NC(CCC#C)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)
InChIKey
DPHIBCOGEUVKGB-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

227.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 155.2
[M+Na]+ 250.10497 161.7
[M-H]- 226.10847 153.3
[M+NH4]+ 245.14957 170.3
[M+K]+ 266.07891 161.3
[M+H-H2O]+ 210.11301 144.3
[M+HCOO]- 272.11395 168.6
[M+CH3COO]- 286.12960 197.2
[M+Na-2H]- 248.09042 155.8
[M]+ 227.11520 151.1
[M]- 227.11630 151.1
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