CID 111269

Tetrahydrofurfuryl-2-methylamine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCCO1)CN
InChI
InChI=1S/C6H13NO/c1-6(5-7)3-2-4-8-6/h2-5,7H2,1H3
InChIKey
DLKKHCBCEHVVFW-UHFFFAOYSA-N
Compound name
(2-methyloxolan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 122.9
[M+Na]+ 138.08894 129.4
[M-H]- 114.09244 126.4
[M+NH4]+ 133.13354 147.2
[M+K]+ 154.06288 130.0
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.09792 145.8
[M+CH3COO]- 174.11357 168.7
[M+Na-2H]- 136.07439 129.9
[M]+ 115.09917 120.0
[M]- 115.10027 120.0
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