CID 104002704

2378502-04-4

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)CN(CC(=O)O)C(=O)NC(C)CC#C
InChI
InChI=1S/C12H20N2O3/c1-5-6-10(4)13-12(17)14(7-9(2)3)8-11(15)16/h1,9-10H,6-8H2,2-4H3,(H,13,17)(H,15,16)
InChIKey
ASCHYXNZAOMSLM-UHFFFAOYSA-N
Compound name
2-[2-methylpropyl(pent-4-yn-2-ylcarbamoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 160.3
[M+Na]+ 263.13662 165.2
[M-H]- 239.14012 159.1
[M+NH4]+ 258.18122 174.9
[M+K]+ 279.11056 165.2
[M+H-H2O]+ 223.14466 148.1
[M+HCOO]- 285.14560 174.9
[M+CH3COO]- 299.16125 206.8
[M+Na-2H]- 261.12207 157.9
[M]+ 240.14685 155.5
[M]- 240.14795 155.5
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

No patent data available for this compound.