CID 9934457

[(1r,4s)-4-aminocyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C6H11NO
SMILES
C1[C@H](C=C[C@H]1N)CO
InChI
InChI=1S/C6H11NO/c7-6-2-1-5(3-6)4-8/h1-2,5-6,8H,3-4,7H2/t5-,6+/m0/s1
InChIKey
UXKZFJDNFBNQHE-NTSWFWBYSA-N
Compound name
[(1R,4S)-4-aminocyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

186
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.1
[M+Na]+ 136.073278 129.2
[M-H]- 112.076784 124.0
[M+NH4]+ 131.117883 145.4
[M+K]+ 152.047218 127.6
[M+H-H2O]+ 96.081320 117.2
[M+HCOO]- 158.082261 145.9
[M+CH3COO]- 172.097911 167.3
[M+Na-2H]- 134.058726 126.7
[M]+ 113.08351142 118.2
[M]- 113.08460858 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe