CID 18381017

2-(azaniumylmethyl)-2-methylbutanoic acid chloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCC(C)(CN)C(=O)O
InChI
InChI=1S/C6H13NO2/c1-3-6(2,4-7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChIKey
OREBQAKMYKXFHS-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

131.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.8
[M+Na]+ 154.08386 135.2
[M-H]- 130.08736 127.4
[M+NH4]+ 149.12846 149.6
[M+K]+ 170.05780 134.8
[M+H-H2O]+ 114.09190 124.7
[M+HCOO]- 176.09284 149.6
[M+CH3COO]- 190.10849 172.8
[M+Na-2H]- 152.06931 133.8
[M]+ 131.09409 127.3
[M]- 131.09519 127.3
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