CID 18187367

(3-methylfuran-2-yl)methanamine

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1=C(OC=C1)CN
InChI
InChI=1S/C6H9NO/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChIKey
CTGIVQJZUKJDNH-UHFFFAOYSA-N
Compound name
(3-methylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

111.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 119.7
[M+Na]+ 134.05763 128.4
[M-H]- 110.06113 124.0
[M+NH4]+ 129.10223 142.8
[M+K]+ 150.03157 128.4
[M+H-H2O]+ 94.065670 114.8
[M+HCOO]- 156.06661 145.6
[M+CH3COO]- 170.08226 169.5
[M+Na-2H]- 132.04308 126.8
[M]+ 111.06786 119.8
[M]- 111.06896 119.8
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