CID 14104553

107246-35-5

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)[C@@](CC=C)(C(=O)OC)N
InChI
InChI=1S/C9H17NO2/c1-5-6-9(10,7(2)3)8(11)12-4/h5,7H,1,6,10H2,2-4H3/t9-/m0/s1
InChIKey
JVXLHLMIZVFRHS-VIFPVBQESA-N
Compound name
methyl (2S)-2-amino-2-propan-2-ylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.5
[M+Na]+ 194.11515 146.3
[M-H]- 170.11865 140.2
[M+NH4]+ 189.15975 160.4
[M+K]+ 210.08909 145.9
[M+H-H2O]+ 154.12319 135.9
[M+HCOO]- 216.12413 161.1
[M+CH3COO]- 230.13978 183.8
[M+Na-2H]- 192.10060 143.3
[M]+ 171.12538 140.7
[M]- 171.12648 140.7
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.